SCHEMBL23906013

SCHEMBL23906013

CC(=O)OC[C@H]1O[C@@H](n2cc(Br)c(=O)n(C(=O)c3ccccc3)c2=O)C(OC(C)=O)C1OC(C)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
GALR3 O60755 1/20 0.47
PRKCA P17252 1/20 0.45
AKT1 P31749 1/20 0.45
PTK2 Q05397 1/20 0.45
LMNA P02545 3/20 0.44
THRB P10828 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HIF1A Q16665 1/20 0.44
CA1 P00915 10/20 0.43
CA2 P00918 10/20 0.43
CA9 Q16790 9/20 0.43
CA12 O43570 9/20 0.43
CA14 Q9ULX7 8/20 0.43
ALDH1A1 P00352 2/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16807741 1.00 TSHR (0.47) TSHRGALR3PRKCAAKT1PTK2
SCHEMBL16781791 1.00 TSHR (0.47) TSHRGALR3PRKCAAKT1PTK2
SCHEMBL14928934 0.85 KMT2A (0.33) TSHRGALR3PRKCAAKT1PTK2
SCHEMBL16805352 0.85 KMT2A (0.33) TSHRGALR3PRKCAAKT1PTK2
SCHEMBL16340896 0.85 TK2 (0.42)
SCHEMBL16807740 0.85 TSHR (0.44) TSHRGALR3PRKCAAKT1PTK2
SCHEMBL14853708 0.85 TSHR (0.44) TSHRGALR3PRKCAAKT1PTK2
SCHEMBL14853782 0.82 TSHR (0.43) TSHRGALR3PRKCAAKT1PTK2
SCHEMBL18573928 0.82 TSHR (0.43) TSHRGALR3PRKCAAKT1PTK2
SCHEMBL14929106 0.77 KMT2A (0.34) TSHRSMN1; SMN2ALDH1A1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210308283-A1 MODIFIED NUCLEOSIDES, NUCLEOTIDES, AND NUCLEIC ACIDS, AND USES THEREOF MODERNA THERAPEUTICS, INC. 2021-10-07 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210308283-A1 MODIFIED NUCLEOSIDES, NUCLEOTIDES, AND NUCLEIC ACIDS, AND USES THEREOF ADAR, NT5C3B, NSUN2 TSHR 2447/4885GALR3 3640/4885PRKCA 1624/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.